2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C14H21ClN2O — CID 119260437

IUPAC2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCc1ccccc1CC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-5-2-3-6-12(11)9-14(17)16-10-13-7-4-8-15-13;/h2-3,5-6,13,15H,4,7-10H2,1H3,(H,16,17);1H
InChIKeyDNDJPZBBDUPMTJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.83
Rot. Bonds4

About 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119260437) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119260437
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCc1ccccc1CC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-5-2-3-6-12(11)9-14(17)16-10-13-7-4-8-15-13;/h2-3,5-6,13,15H,4,7-10H2,1H3,(H,16,17);1H
InChIKeyDNDJPZBBDUPMTJ-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119513702
2-(2-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62541799
2-(2,6-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514519
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
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CID 154899456
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 91841478
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119260437) is 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cc1ccccc1CC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is DNDJPZBBDUPMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-5-2-3-6-12(11)9-14(17)16-10-13-7-4-8-15-13;/h2-3,5-6,13,15H,4,7-10H2,1H3,(H,16,17);1H.
What are the key properties of 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119260437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).